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MOPPP-M (dihydro-) MS3_1
SpectraBase Compound ID 2c2gPjQHY57
InChI InChI=1S/C10H13O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h3-7,10-11H,1-2H3/q+1
InChIKey XSCXXAZXHJRZGF-UHFFFAOYSA-N
Mol Weight 165.21 g/mol
Molecular Formula C10H13O2
Exact Mass 165.091555 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5iZehaV0HDf
Name MOPPP-M (dihydro-glucuronide) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-180.00]
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InChI InChI=1S/C10H13O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h3-7,10-11H,1-2H3/q+1
InChIKey XSCXXAZXHJRZGF-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC([CH+]C)C1=CC=C(C=C1)OC
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS